1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine

C18H26N2S — CID 64844515

IUPAC1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine
SMILESCCC(C)C1CNC(C)CN1Cc1csc2ccccc12
InChIInChI=1S/C18H26N2S/c1-4-13(2)17-9-19-14(3)10-20(17)11-15-12-21-18-8-6-5-7-16(15)18/h5-8,12-14,17,19H,4,9-11H2,1-3H3
InChIKeyUZBLUERMFQVMDX-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.11
Rot. Bonds4

About 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine

1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine (PubChem CID 64844515) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine
PubChem CID64844515
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine
SMILESCCC(C)C1CNC(C)CN1Cc1csc2ccccc12
InChIInChI=1S/C18H26N2S/c1-4-13(2)17-9-19-14(3)10-20(17)11-15-12-21-18-8-6-5-7-16(15)18/h5-8,12-14,17,19H,4,9-11H2,1-3H3
InChIKeyUZBLUERMFQVMDX-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine (CID 64844515) is 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine is CCC(C)C1CNC(C)CN1Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine?
The InChIKey is UZBLUERMFQVMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-13(2)17-9-19-14(3)10-20(17)11-15-12-21-18-8-6-5-7-16(15)18/h5-8,12-14,17,19H,4,9-11H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine?
1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine has a molecular weight of 302.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine is sourced from PubChem (CID 64844515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).